tris(dimethylazanide);titanium(4+);trityl-[6-(tritylamino)-2-pyridinyl]azanide

C49H52N6Ti — CID 164683197

IUPACtris(dimethylazanide);titanium(4+);trityl-[6-(tritylamino)-2-pyridinyl]azanide
SMILESC[N-]C.C[N-]C.C[N-]C.[Ti+4].c1ccc(C([N-]c2cccc(NC(c3ccccc3)(c3ccccc3)c3ccccc3)n2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C43H34N3.3C2H6N.Ti/c1-7-20-34(21-8-1)42(35-22-9-2-10-23-35,36-24-11-3-12-25-36)45-40-32-19-33-41(44-40)46-43(37-26-13-4-14-27-37,38-28-15-5-16-29-38)39-30-17-6-18-31-39;3*1-3-2;/h1-33H,(H-,44,45,46);3*1-2H3;/q4*-1;+4
InChIKeyNXQXKBVIPQEPSM-UHFFFAOYSA-N
MW772.86 g/mol
LogP12.34
Rot. Bonds10

About tris(dimethylazanide);titanium(4+);trityl-[6-(tritylamino)-2-pyridinyl]azanide

tris(dimethylazanide);titanium(4+);trityl-[6-(tritylamino)-2-pyridinyl]azanide (PubChem CID 164683197) has the molecular formula C49H52N6Ti and a molecular weight of 772.86 g/mol. Its IUPAC name is tris(dimethylazanide);titanium(4+);trityl-[6-(tritylamino)-2-pyridinyl]azanide.

Molecular Properties

Compound Nametris(dimethylazanide);titanium(4+);trityl-[6-(tritylamino)-2-pyridinyl]azanide
PubChem CID164683197
Molecular FormulaC49H52N6Ti
Molecular Weight772.86 g/mol
Exact Mass772.37
IUPAC Nametris(dimethylazanide);titanium(4+);trityl-[6-(tritylamino)-2-pyridinyl]azanide
SMILESC[N-]C.C[N-]C.C[N-]C.[Ti+4].c1ccc(C([N-]c2cccc(NC(c3ccccc3)(c3ccccc3)c3ccccc3)n2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C43H34N3.3C2H6N.Ti/c1-7-20-34(21-8-1)42(35-22-9-2-10-23-35,36-24-11-3-12-25-36)45-40-32-19-33-41(44-40)46-43(37-26-13-4-14-27-37,38-28-15-5-16-29-38)39-30-17-6-18-31-39;3*1-3-2;/h1-33H,(H-,44,45,46);3*1-2H3;/q4*-1;+4
InChIKeyNXQXKBVIPQEPSM-UHFFFAOYSA-N
XLogP12.34
TPSA81.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500772.86
LogP ≤ 512.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

6-methyl-N-(naphthalen-1-ylmethyl)pyridin-2-amine
CID 975769
2-Benzyl-1-(6-benzyl-2-pyridinyl)guanidine
CID 44533049
2-N-(cyclohexylmethyl)-4-N-(2,2-diphenylethyl)-6-methylpyrimidine-2,4-diamine
CID 44532332
N,3-dibenzyl-6,7,8,9-tetrahydro-5H-pyrido[3,4-d]azepin-1-amine
CID 118736629
N-Phenethyl-N''''-((S)-1-phenyl-ethyl)-pyridine-2,6-diamine
CID 44393056
5,6-bis[4-(aminomethyl)phenyl]-N-(piperidin-4-ylmethyl)pyridin-2-amine
CID 164620536
N-(1-adamantyl)-4,6-dimethylpyridin-2-amine
CID 9813781
N-(1-adamantyl)-4-methylpyridin-2-amine
CID 9834691
N-(1-adamantyl)-5-methylpyridin-2-amine
CID 9878104
2-(1-Adamantylamino)-6-methylpyridine
CID 10131023
N-(Triphenylmethyl)pyridin-2-amine
CID 299991
1-(4,6-Dimethyl-2-pyridyl)-3-phenethyl-guanidine
CID 3013230

Frequently Asked Questions

What is the IUPAC name of tris(dimethylazanide);titanium(4+);trityl-[6-(tritylamino)-2-pyridinyl]azanide?
The IUPAC name of tris(dimethylazanide);titanium(4+);trityl-[6-(tritylamino)-2-pyridinyl]azanide (CID 164683197) is tris(dimethylazanide);titanium(4+);trityl-[6-(tritylamino)-2-pyridinyl]azanide.
What is the SMILES notation for tris(dimethylazanide);titanium(4+);trityl-[6-(tritylamino)-2-pyridinyl]azanide?
The canonical SMILES for tris(dimethylazanide);titanium(4+);trityl-[6-(tritylamino)-2-pyridinyl]azanide is C[N-]C.C[N-]C.C[N-]C.[Ti+4].c1ccc(C([N-]c2cccc(NC(c3ccccc3)(c3ccccc3)c3ccccc3)n2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of tris(dimethylazanide);titanium(4+);trityl-[6-(tritylamino)-2-pyridinyl]azanide?
The InChIKey is NXQXKBVIPQEPSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H34N3.3C2H6N.Ti/c1-7-20-34(21-8-1)42(35-22-9-2-10-23-35,36-24-11-3-12-25-36)45-40-32-19-33-41(44-40)46-43(37-26-13-4-14-27-37,38-28-15-5-16-29-38)39-30-17-6-18-31-39;3*1-3-2;/h1-33H,(H-,44,45,46);3*1-2H3;/q4*-1;+4.
What are the key properties of tris(dimethylazanide);titanium(4+);trityl-[6-(tritylamino)-2-pyridinyl]azanide?
tris(dimethylazanide);titanium(4+);trityl-[6-(tritylamino)-2-pyridinyl]azanide has a molecular weight of 772.86 g/mol, XLogP of 12.34, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tris(dimethylazanide);titanium(4+);trityl-[6-(tritylamino)-2-pyridinyl]azanide is sourced from PubChem (CID 164683197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).